Nitrous Acid

Nitrous Acid

SCHEMBL11021891

CC(=O)C(C)=Cc1ccc2[nH]nc(C)c2c1.O=NO

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 3/20 0.35
PLK1 P53350 3/20 0.35
CYP1A2 P05177 1/20 0.34
LRRK2 Q5S007 6/20 0.34
MAP2K4 P45985 4/20 0.33
MAPK1 P28482 3/20 0.33
MAPKAPK3 Q16644 3/20 0.33
MAPK6 Q16659 3/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
MAPKAPK2 P49137 2/20 0.33
MAPKAPK5 Q8IW41 2/20 0.33
PRKAG1 P54619 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
DYRK1A Q13627 1/20 0.32
SLC9A1 P19634 1/20 0.31
SLC9A3 P48764 1/20 0.31
SLC9A2 Q9UBY0 1/20 0.31
RPS6KA5 O75582 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Nitrous Acid SCHEMBL11021890 1.00 NEK2 (0.35) NEK2PLK1CYP1A2LRRK2MAP2K4
SCHEMBL182613 0.78 NEK2 (0.51) NEK2PLK1CYP1A2RPS6KA5
SCHEMBL10212372 0.78 NEK2 (0.35) NEK2PLK1CYP1A2LRRK2MAP2K4
SCHEMBL182614 0.78 NEK2 (0.51) NEK2PLK1CYP1A2RPS6KA5
SCHEMBL17792470 0.74 AKR1C3 (0.44) CYP1A2ADORA2AADORA2BDYRK1A
SCHEMBL181661 0.74 KIF11 (0.46) CYP1A2MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL29955660 0.74 KIF11 (0.46) CYP1A2MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL4516170 0.70 PDPK1 (0.49) NEK2CYP1A2LRRK2ADORA2AADORA2B
SCHEMBL16308650 0.69 KIF11 (0.50) CYP1A2MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL12595307 0.69 NEK2 (0.48) NEK2PLK1CYP1A2RPS6KA5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073939-B2 Indazolyl-substituted dihydroisoxa-zolopyridines and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-07 US disclosed
US-20120190709-A1 Indazolyl-substituted dihydroisoxa-zolopyridines and methods of use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120190709-A1 Indazolyl-substituted dihydroisoxa-zolopyridines and methods of use thereof BMX, MET, ABL1 NEK2 1730/4885PLK1 3162/4885CYP1A2 2336/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.